[5-[5-(3-hydroxyphenyl)furan-3-yl]-1H-inden-1-yl]methanediol

C20H16O4 — CID 156522243

IUPAC[5-[5-(3-hydroxyphenyl)furan-3-yl]-1H-inden-1-yl]methanediol
SMILESOc1cccc(-c2cc(-c3ccc4c(c3)C=CC4C(O)O)co2)c1
InChIInChI=1S/C20H16O4/c21-16-3-1-2-14(9-16)19-10-15(11-24-19)12-4-6-17-13(8-12)5-7-18(17)20(22)23/h1-11,18,20-23H
InChIKeyUSNIGYWDWLFHDT-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.74
Rot. Bonds3

About [5-[5-(3-hydroxyphenyl)furan-3-yl]-1H-inden-1-yl]methanediol

[5-[5-(3-hydroxyphenyl)furan-3-yl]-1H-inden-1-yl]methanediol (PubChem CID 156522243) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is [5-[5-(3-hydroxyphenyl)furan-3-yl]-1H-inden-1-yl]methanediol.

Molecular Properties

Compound Name[5-[5-(3-hydroxyphenyl)furan-3-yl]-1H-inden-1-yl]methanediol
PubChem CID156522243
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name[5-[5-(3-hydroxyphenyl)furan-3-yl]-1H-inden-1-yl]methanediol
SMILESOc1cccc(-c2cc(-c3ccc4c(c3)C=CC4C(O)O)co2)c1
InChIInChI=1S/C20H16O4/c21-16-3-1-2-14(9-16)19-10-15(11-24-19)12-4-6-17-13(8-12)5-7-18(17)20(22)23/h1-11,18,20-23H
InChIKeyUSNIGYWDWLFHDT-UHFFFAOYSA-N
XLogP3.74
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[5-(3-hydroxyphenyl)furan-3-yl]-1H-inden-1-yl]methanediol?
The IUPAC name of [5-[5-(3-hydroxyphenyl)furan-3-yl]-1H-inden-1-yl]methanediol (CID 156522243) is [5-[5-(3-hydroxyphenyl)furan-3-yl]-1H-inden-1-yl]methanediol.
What is the SMILES notation for [5-[5-(3-hydroxyphenyl)furan-3-yl]-1H-inden-1-yl]methanediol?
The canonical SMILES for [5-[5-(3-hydroxyphenyl)furan-3-yl]-1H-inden-1-yl]methanediol is Oc1cccc(-c2cc(-c3ccc4c(c3)C=CC4C(O)O)co2)c1.
What is the InChIKey of [5-[5-(3-hydroxyphenyl)furan-3-yl]-1H-inden-1-yl]methanediol?
The InChIKey is USNIGYWDWLFHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c21-16-3-1-2-14(9-16)19-10-15(11-24-19)12-4-6-17-13(8-12)5-7-18(17)20(22)23/h1-11,18,20-23H.
What are the key properties of [5-[5-(3-hydroxyphenyl)furan-3-yl]-1H-inden-1-yl]methanediol?
[5-[5-(3-hydroxyphenyl)furan-3-yl]-1H-inden-1-yl]methanediol has a molecular weight of 320.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(3-hydroxyphenyl)furan-3-yl]-1H-inden-1-yl]methanediol is sourced from PubChem (CID 156522243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).